3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid

C19H12ClN3O3 — CID 162751496

IUPAC3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)c1
InChIInChI=1S/C19H12ClN3O3/c20-13-1-2-15-17(8-13)22-16(9-18(15)23-4-3-21-10-23)11-5-12(19(25)26)7-14(24)6-11/h1-10,24H,(H,25,26)
InChIKeyHHHXORCKGQDGFG-UHFFFAOYSA-N
MW365.78 g/mol
LogP4.14
Rot. Bonds3

About 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid

3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid (PubChem CID 162751496) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid
PubChem CID162751496
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC Name3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)c1
InChIInChI=1S/C19H12ClN3O3/c20-13-1-2-15-17(8-13)22-16(9-18(15)23-4-3-21-10-23)11-5-12(19(25)26)7-14(24)6-11/h1-10,24H,(H,25,26)
InChIKeyHHHXORCKGQDGFG-UHFFFAOYSA-N
XLogP4.14
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid
CID 162751512
4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid
CID 162750674
5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid
CID 162750219
5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid
CID 162750155
7-chloro-4-imidazol-1-yl-2-(1H-pyrrol-3-yl)quinoline
CID 169001733
(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid
CID 162750277
3-(7-bromo-4-imidazol-1-yl-8-methoxyquinolin-2-yl)benzoic acid
CID 162750917
3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine
CID 162750667
(4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
CID 21497416
(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone
CID 21497391
3,5-difluoro-4-imidazol-1-ylbenzoic acid
CID 63078087
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid?
The IUPAC name of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid (CID 162751496) is 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid.
What is the SMILES notation for 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid?
The canonical SMILES for 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid is O=C(O)c1cc(O)cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)c1.
What is the InChIKey of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid?
The InChIKey is HHHXORCKGQDGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3/c20-13-1-2-15-17(8-13)22-16(9-18(15)23-4-3-21-10-23)11-5-12(19(25)26)7-14(24)6-11/h1-10,24H,(H,25,26).
What are the key properties of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid?
3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid has a molecular weight of 365.78 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid is sourced from PubChem (CID 162751496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).